2-Ethoxybenzene-1-thiol

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  • Identifiers

    CAS number
    54615-63-3

    Molecular formula
    C8H10OS

    SMILES
    CCOC1=CC=CC=C1S

    Safety labels

  • Odor profile

    Fragrance
    Meaty 75.63%
    Sweet 69.06%
    Phenolic 67.54%
    Smoky 66.41%
    Roasted 64.71%
    Sulfurous 61.02%
    Burnt 56.2%
    Spicy 52.52%
    Vanilla 50.21%
    Coffee 43.22%

     

    Flavor
    Sweet 83.12%
    Spicy 59.44%
    Phenolic 54.2%
    Floral 46.37%
    Powdery 44.26%
    Vanilla 42.64%
    Meaty 42.47%
    Smoky 40.71%
    Sulfurous 38.79%
    Chocolate 33.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.52 (weak acid)

    Molecular weight
    154.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    239°C

    Flash point

    • 80.34 ˚C est.

  • Synonyms

    • 54615-63-3
    • 2-Ethoxybenzene-1-thiol
    • DTXSID00509503
    • RefChem:260377
    • DTXCID30460310
    • 2-Ethoxybenzenethiol
    • 2-Ethoxy thiophenol
    • 2-ETHOXYTHIOPHENOL
    • MFCD08460159
    • SCHEMBL297713
    • SCHEMBL1402570
    • SCHEMBL5255469
    • SCHEMBL31069719
    • AKOS006289479
    • EN300-673726
    • 54615-63-3

  • Applications

    2-Ethoxybenzene-1-thiol (CAS 54615-63-3) is a fragrance-relevant mercaptan used primarily as a synthetic intermediate and building block in fragrance chemistry, serving as a precursor to more complex aroma compounds. In cosmetics and personal care, it may be used as a synthetic intermediate for fragrance derivatives or odorant additives. In coatings and inks, the aryl thiol can participate in thiol-ene and related polymerization chemistries, functioning as a functionalizing agent to modify adhesion and crosslinking. In polymer science, it can serve as a reactive intermediate or thiol donor for thiol-ene reactions to tailor network structure. In industrial manufacturing, it is evaluated as an intermediate in organic synthesis for various downstream products, with usage and regulatory constraints depending on jurisdiction and formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 597.83
    methanol 669.01
    isopropanol 444.8
    water 5.33
    ethyl acetate 725.61
    n-propanol 446.14
    acetone 1356.61
    n-butanol 398.6
    acetonitrile 1094.6
    DMF 1255.38
    toluene 365.51
    isobutanol 347.14
    1,4-dioxane 1267.85
    methyl acetate 898.44
    THF 1138.79
    2-butanone 841.91
    n-pentanol 365.83
    sec-butanol 410.82
    n-hexane 151.33
    ethylene glycol 285.8
    NMP 904.53
    cyclohexane 240.45
    DMSO 1843.78
    n-butyl acetate 685.85
    n-octanol 332.23
    chloroform 2446.25
    n-propyl acetate 625.78
    acetic acid 664.83
    dichloromethane 3149.98
    cyclohexanone 961.91
    propylene glycol 221.67
    isopropyl acetate 351.23
    DMAc 1020.13
    2-ethoxyethanol 663.32
    isopentanol 312.93
    n-heptane 198.01
    ethyl formate 592.35
    1,2-dichloroethane 1670.86
    n-hexanol 440.04
    2-methoxyethanol 779.1
    isobutyl acetate 360.03
    tetrachloromethane 569.92
    n-pentyl acetate 369.43
    transcutol 1208.17
    n-heptanol 243.93
    ethylbenzene 292.02
    MIBK 326.84
    2-propoxyethanol 649.73
    tert-butanol 519.77
    MTBE 486.27
    2-butoxyethanol 379.52
    propionic acid 473.49
    o-xylene 291.73
    formic acid 183.95
    diethyl ether 637.49
    m-xylene 264.81
    p-xylene 412.35
    chlorobenzene 627.01
    dimethyl carbonate 352.47
    n-octane 96.37
    formamide 365.95
    cyclopentanone 1128.29
    2-pentanone 610.78
    anisole 571.19
    cyclopentyl methyl ether 501.71
    gamma-butyrolactone 1132.61
    1-methoxy-2-propanol 522.23
    pyridine 890.4
    3-pentanone 578.69
    furfural 965.54
    n-dodecane 85.24
    diethylene glycol 587.91
    diisopropyl ether 203.27
    tert-amyl alcohol 435.65
    acetylacetone 763.09
    n-hexadecane 93.03
    acetophenone 540.41
    methyl propionate 594.18
    isopentyl acetate 455.78
    trichloroethylene 2586.45
    n-nonanol 274.9
    cyclohexanol 384.14
    benzyl alcohol 398.5
    2-ethylhexanol 313.72
    isooctanol 207.46
    dipropyl ether 548.99
    1,2-dichlorobenzene 618.13
    ethyl lactate 288.07
    propylene carbonate 642.47
    n-methylformamide 583.75
    2-pentanol 275.03
    n-pentane 132.35
    1-propoxy-2-propanol 462.95
    1-methoxy-2-propyl acetate 455.52
    2-(2-methoxypropoxy) propanol 414.6
    mesitylene 200.42
    ε-caprolactone 716.86
    p-cymene 237.37
    epichlorohydrin 1339.87
    1,1,1-trichloroethane 1408.38
    2-aminoethanol 329.26
    morpholine-4-carbaldehyde 1032.24
    sulfolane 1373.3
    2,2,4-trimethylpentane 71.04
    2-methyltetrahydrofuran 795.46
    n-hexyl acetate 537.03
    isooctane 56.53
    2-(2-butoxyethoxy)ethanol 530.78
    sec-butyl acetate 325.77
    tert-butyl acetate 366.56
    decalin 126.86
    glycerin 314.85
    diglyme 1142.57
    acrylic acid 458.57
    isopropyl myristate 268.4
    n-butyric acid 481.9
    acetyl acetate 460.71
    di(2-ethylhexyl) phthalate 209.57
    ethyl propionate 502.63
    nitromethane 1210.19
    1,2-diethoxyethane 625.94
    benzonitrile 601.54
    trioctyl phosphate 179.45
    1-bromopropane 858.36
    gamma-valerolactone 962.15
    n-decanol 225.09
    triethyl phosphate 253.66
    4-methyl-2-pentanol 159.05
    propionitrile 679.3
    vinylene carbonate 706.44
    1,1,2-trichlorotrifluoroethane 770.43
    DMS 463.19
    cumene 219.03
    2-octanol 214.05
    2-hexanone 587.81
    octyl acetate 322.57
    limonene 324.45
    1,2-dimethoxyethane 1298.7
    ethyl orthosilicate 239.13
    tributyl phosphate 219.27
    diacetone alcohol 378.93
    N,N-dimethylaniline 391.4
    acrylonitrile 801.14
    aniline 362.43
    1,3-propanediol 381.43
    bromobenzene 759.45
    dibromomethane 2018.24
    1,1,2,2-tetrachloroethane 1764.71
    2-methyl-cyclohexyl acetate 360.58
    tetrabutyl urea 293.35
    diisobutyl methanol 199.53
    2-phenylethanol 369.84
    styrene 388.45
    dioctyl adipate 346.04
    dimethyl sulfate 543.06
    ethyl butyrate 568.04
    methyl lactate 294.36
    butyl lactate 274.22
    diethyl carbonate 420.83
    propanediol butyl ether 361.48
    triethyl orthoformate 342.53
    p-tert-butyltoluene 211.31
    methyl 4-tert-butylbenzoate 377.2
    morpholine 938.37
    tert-butylamine 363.71
    n-dodecanol 193.45
    dimethoxymethane 818.12
    ethylene carbonate 561.06
    cyrene 392.1
    2-ethoxyethyl acetate 471.96
    2-ethylhexyl acetate 389.28
    1,2,4-trichlorobenzene 690.97
    4-methylpyridine 781.12
    dibutyl ether 475.45
    2,6-dimethyl-4-heptanol 199.53
    DEF 701.66
    dimethyl isosorbide 609.71
    tetrachloroethylene 1200.11
    eugenol 405.4
    triacetin 505.95
    span 80 347.61
    1,4-butanediol 267.78
    1,1-dichloroethane 1442.41
    2-methyl-1-pentanol 314.62
    methyl formate 623.57
    2-methyl-1-butanol 320.06
    n-decane 124.15
    butyronitrile 602.65
    3,7-dimethyl-1-octanol 283.67
    1-chlorooctane 345.77
    1-chlorotetradecane 166.14
    n-nonane 135.7
    undecane 99.46
    tert-butylcyclohexane 112.07
    cyclooctane 97.77
    cyclopentanol 439.86
    tetrahydropyran 841.44
    tert-amyl methyl ether 359.56
    2,5,8-trioxanonane 768.79
    1-hexene 338.68
    2-isopropoxyethanol 480.04
    2,2,2-trifluoroethanol 255.89
    methyl butyrate 689.3

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction